(3R)-1-methyl-3-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-methyl-3-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-3-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-methyl-pyrrolidine-2,5-dione CAS Name: (3R)-1-methyl-3-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-3-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-methylpyrrolidine-2,5-dione Traditional Name: (3R)-3-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-methyl-pyrrolidine-2,5-quinone Formula: C16H22N3O4S+ MolecularWeight: 352.42858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C1=O)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C[C@H](C1=O)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H21N3O4S/c1-17-15(20)11-14(16(17)21)18-7-9-19(10-8-18)24(22,23)12-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3/p+1/t14-/m1/s1